2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile
TL;DR: 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile (CAS 108833-74-5) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.11569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetonitrile
Also Known As: 2-(4,5-dihydro-1H-benzo[c]azepin-2(3H)-yl)acetonitrile, 2-(5-azabicyclo[5.4.0]undeca-7,9,11-trien-5-yl)acetonitrile
Technical Specifications
| Molecular Formula | C12H14N2 |
| Molecular Weight | 186.11569 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.11569 Da |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
| SMILES | C1CC2=CC=CC=C2CN(C1)CC#N |
| InChIKey | LSOHENMDIFGDKA-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile
Property Insights of 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile?
The CAS number of 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile is 108833-74-5.
What is the molecular formula of 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile?
The molecular formula of 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile is C12H14N2.
What is the molecular weight of 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile?
The molecular weight of 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile is 186.11569 g/mol.
Where can I buy 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile?
You can request a quote for 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1,3,4,5-Tetrahydro-2-benzazepin-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.